General Characteristics
| NatID | 227 |
| Common Name | Rubiadin |
| Molecular Formula | C15H10O4 |
| Chemical Class | Anthracenes > Anthraquinones |
| Molecular Weight | 254.058 g/mol |
| Other names |
Representations
| Smiles | Cc1c(O)cc2c(c1O)C(=O)c1ccccc1C2=O |
| Inchi | InChI=1S/C15H10O4/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,16-17H,1H3 |
| Inchi Key | IRZTUXPRIUZXMP-UHFFFAOYSA-N |
| 3D Structure |
Calculated Properties
| clogP | 2.18 |
| TPSA | 74.60 |
| HBD | 2 |
| HBA | 4 |
| Rotatable Bonds | 0 |
| Aromatic Rings | 2 |
| Heavy Atoms | 19 |
| Aromatic Carbocycles | 2 |
| Aromatic Heterocycles | 0 |
| Number of NO | 4 |
Experiments
| EID | Source | Semisynthetic? | Confidence level | References |
|---|---|---|---|---|
| 9683 | Heterophyllaea pustulata | No | Very High | Núñez Montoya, S. C., Agnese, A. M., & Cabrera, J. L. (2006). Anthraquinone Derivatives from Heterophyllaea pustulata. Journal of Natural Products, 69(5), 801–803. https://doi.org/10.1021/np050181o |
| Bioassay ID | NPASS ID | Target | Activity type | Activity |
|---|---|---|---|---|
| Loading... | ||||